ethyl 3-[(3S)-3-(2-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]but-2-enoate

Systemtic Name: ethyl 3-[(3S)-3-(2-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]but-2-enoate Openeye Name: ethyl 3-[(3S)-3-(2-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]but-2-enoate CAS Name: 3-[(3S)-3-(2-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-butenoic acid ethyl ester IUPAC Name: ethyl 3-[(3S)-3-(2-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]but-2-enoate Traditional Name: 3-[(5S)-5-(2-nitrophenyl)-3-phenyl-2-pyrazolin-1-yl]but-2-enoic acid ethyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)N1C(CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C=C(C)N1[C@@H](CC(=N1)C2=CC=CC=C2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4/c1-3-28-21(25)13-15(2)23-20(17-11-7-8-12-19(17)24(26)27)14-18(22-23)16-9-5-4-6-10-16/h4-13,20H,3,14H2,1-2H3/t20-/m0/s1